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Home Other Building Blocks 5-Phenyl-3H-1,3,4-oxadiazol-2-one

5-Phenyl-3H-1,3,4-oxadiazol-2-one

CAS No.:
1199-02-6
Catalog Number:
AG000PUA
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$369
- +
10g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG000PUA
Chemical Name:
5-Phenyl-3H-1,3,4-oxadiazol-2-one
CAS Number:
1199-02-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD05023177
IUPAC Name:
5-phenyl-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChI Key:
RFJQGIYJJLWZJP-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1ccccc1
NSC Number:
525342
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Antimycobacterial activity of new 3,5-disubstituted 1,3,4-oxadiazol-2(3H)-one derivatives. Molecular modeling investigations. Bioorganic & medicinal chemistry 20090701
Properties